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Found 44 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase-like amidohydrolase' AND taxid = 242601   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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PubMed
700n/an/an/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropy


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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1.00E+3n/an/an/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Binding affinity to Bordetella/Alcaligenes strain FB188 HDAC by FRET assay


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50293703
PNG
(2-ethyl-3-methoxy-6-methyl-5-(11-oxododecyl)cycloh...)
Show SMILES CCc1c(O)c(C)c(C=CCCCCCCCCC(C)=O)c(O)c1OC
Show InChI InChI=1S/C22H34O4/c1-5-18-20(24)17(3)19(21(25)22(18)26-4)15-13-11-9-7-6-8-10-12-14-16(2)23/h13,15,24-25H,5-12,14H2,1-4H3
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1.10E+3n/an/an/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropy


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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1.30E+3n/an/an/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropy


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50293704
PNG
(1,1,1-trifluoro-7-(1H-naphtho[2,3-d]imidazol-2-yl)...)
Show SMILES FC(F)(F)C(=O)CCCCCc1nc2cc3ccccc3cc2[nH]1
Show InChI InChI=1S/C18H17F3N2O/c19-18(20,21)16(24)8-2-1-3-9-17-22-14-10-12-6-4-5-7-13(12)11-15(14)23-17/h4-7,10-11H,1-3,8-9H2,(H,22,23)
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1.40E+3n/an/an/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropy


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50293705
PNG
(((2R,3S,4S,5R,6S)-6-((2R,3R,4S,5S,6R)-4,5-dihydrox...)
Show SMILES CCCCCCCCCCCC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C28H52O12/c1-4-5-6-7-8-9-10-11-12-13-14-17(2)37-28-26(24(34)21(31)19(15-29)38-28)40-27-25(35)23(33)22(32)20(39-27)16-36-18(3)30/h17,19-29,31-35H,4-16H2,1-3H3/t17-,19-,20-,21-,22-,23+,24+,25-,26-,27+,28-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Binding affinity to Bordetella/Alcaligenes strain FB188 HDAC by FRET assay


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50293702
PNG
(11-(3-pentyloxiran-2-yl)undec-9-ynoic acid | CHEMB...)
Show SMILES CCCCCC1OC1CC#CCCCCCCCC(O)=O
Show InChI InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)
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4.30E+3n/an/an/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Binding affinity to Bordetella/Alcaligenes strain FB188 HDAC by FRET assay


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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9.20E+3n/an/an/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropy


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50293705
PNG
(((2R,3S,4S,5R,6S)-6-((2R,3R,4S,5S,6R)-4,5-dihydrox...)
Show SMILES CCCCCCCCCCCC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C28H52O12/c1-4-5-6-7-8-9-10-11-12-13-14-17(2)37-28-26(24(34)21(31)19(15-29)38-28)40-27-25(35)23(33)22(32)20(39-27)16-36-18(3)30/h17,19-29,31-35H,4-16H2,1-3H3/t17-,19-,20-,21-,22-,23+,24+,25-,26-,27+,28-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropy


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50293702
PNG
(11-(3-pentyloxiran-2-yl)undec-9-ynoic acid | CHEMB...)
Show SMILES CCCCCC1OC1CC#CCCCCCCCC(O)=O
Show InChI InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)
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2.00E+4n/an/an/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropy


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM19410
PNG
(CHEMBL27759 | MS-275 | US9265734, MS-275 | benzami...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropy


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50386451
PNG
(CHEMBL2047685)
Show SMILES ONC(=O)CCCNC(=O)C(Cc1ccc(O)c(Br)c1)N=O
Show InChI InChI=1S/C13H16BrN3O5/c14-9-6-8(3-4-11(9)18)7-10(16-21)13(20)15-5-1-2-12(19)17-22/h3-4,6,10,18,22H,1-2,5,7H2,(H,15,20)(H,17,19)
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n/an/a 310n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of Bordetella sp. (strain FB188) N-terminus His-tagged HDAH expressed in Escherichia coli BL21 (DE3)


J Med Chem 55: 1731-50 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50386450
PNG
(CHEMBL2047684)
Show SMILES ONC(=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)N=O
Show InChI InChI=1S/C12H14BrN3O5/c13-8-5-7(1-2-10(8)17)6-9(15-20)12(19)14-4-3-11(18)16-21/h1-2,5,9,17,21H,3-4,6H2,(H,14,19)(H,16,18)
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n/an/a 310n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of Bordetella sp. (strain FB188) N-terminus His-tagged HDAH expressed in Escherichia coli BL21 (DE3)


J Med Chem 55: 1731-50 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50293703
PNG
(2-ethyl-3-methoxy-6-methyl-5-(11-oxododecyl)cycloh...)
Show SMILES CCc1c(O)c(C)c(C=CCCCCCCCCC(C)=O)c(O)c1OC
Show InChI InChI=1S/C22H34O4/c1-5-18-20(24)17(3)19(21(25)22(18)26-4)15-13-11-9-7-6-8-10-12-14-16(2)23/h13,15,24-25H,5-12,14H2,1-4H3
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n/an/a 600n/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of Bordetella/Alcaligenes strain FB188 HDAH by fluorogenic enzyme assay


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50293704
PNG
(1,1,1-trifluoro-7-(1H-naphtho[2,3-d]imidazol-2-yl)...)
Show SMILES FC(F)(F)C(=O)CCCCCc1nc2cc3ccccc3cc2[nH]1
Show InChI InChI=1S/C18H17F3N2O/c19-18(20,21)16(24)8-2-1-3-9-17-22-14-10-12-6-4-5-7-13(12)11-15(14)23-17/h4-7,10-11H,1-3,8-9H2,(H,22,23)
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n/an/a 600n/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of Bordetella/Alcaligenes strain FB188 HDAH by fluorogenic enzyme assay


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of Bordetella/Alcaligenes strain FB188 HDAH by fluorimetric assay


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of Bordetella/Alcaligenes strain FB188 HDAH by fluorimetric assay


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50293705
PNG
(((2R,3S,4S,5R,6S)-6-((2R,3R,4S,5S,6R)-4,5-dihydrox...)
Show SMILES CCCCCCCCCCCC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C28H52O12/c1-4-5-6-7-8-9-10-11-12-13-14-17(2)37-28-26(24(34)21(31)19(15-29)38-28)40-27-25(35)23(33)22(32)20(39-27)16-36-18(3)30/h17,19-29,31-35H,4-16H2,1-3H3/t17-,19-,20-,21-,22-,23+,24+,25-,26-,27+,28-/m1/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of Bordetella/Alcaligenes strain FB188 HDAH by fluorogenic enzyme assay


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50293702
PNG
(11-(3-pentyloxiran-2-yl)undec-9-ynoic acid | CHEMB...)
Show SMILES CCCCCC1OC1CC#CCCCCCCCC(O)=O
Show InChI InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)
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n/an/a 9.20E+3n/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of Bordetella/Alcaligenes strain FB188 HDAH by fluorogenic enzyme assay


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50386453
PNG
(CHEMBL2047540)
Show SMILES Oc1ccc(CC(N=O)C(=O)NCCS)cc1Br
Show InChI InChI=1S/C11H13BrN2O3S/c12-8-5-7(1-2-10(8)15)6-9(14-17)11(16)13-3-4-18/h1-2,5,9,15,18H,3-4,6H2,(H,13,16)
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n/an/a 3.02E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of Bordetella sp. (strain FB188) N-terminus His-tagged HDAH expressed in Escherichia coli BL21 (DE3)


J Med Chem 55: 1731-50 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50386452
PNG
(CHEMBL2047680)
Show SMILES NN=C(Cc1ccc(O)c(Br)c1)C(=O)NCCS
Show InChI InChI=1S/C11H14BrN3O2S/c12-8-5-7(1-2-10(8)16)6-9(15-13)11(17)14-3-4-18/h1-2,5,16,18H,3-4,6,13H2,(H,14,17)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of Bordetella sp. (strain FB188) N-terminus His-tagged HDAH expressed in Escherichia coli BL21 (DE3)


J Med Chem 55: 1731-50 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM19410
PNG
(CHEMBL27759 | MS-275 | US9265734, MS-275 | benzami...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/a 1.18E+5n/an/an/an/an/an/a



University of G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of Bordetella/Alcaligenes strain FB188 HDAH by fluorogenic enzyme assay


Bioorg Med Chem Lett 19: 3651-6 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361250
PNG
(CHEMBL1934892)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C14H7ClF12N2O3/c15-5-1-3-6(4-2-5)28-7(30)9(16,17)11(20,21)13(24,25)14(26,27)12(22,23)10(18,19)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)
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n/an/an/a 210n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361253
PNG
(CHEMBL1934895)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(I)cc1
Show InChI InChI=1S/C14H7F12IN2O3/c15-9(16,7(30)28-6-3-1-5(27)2-4-6)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)
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n/an/an/a 390n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361254
PNG
(CHEMBL1934896)
Show SMILES Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1C
Show InChI InChI=1S/C16H12F12N2O3/c1-6-3-4-8(5-7(6)2)29-9(31)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(32)30-33/h3-5,33H,1-2H3,(H,29,31)(H,30,32)
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n/an/an/a 260n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361255
PNG
(CHEMBL1934897)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H12F12N2O3/c21-15(22,13(35)33-12-8-6-11(7-9-12)10-4-2-1-3-5-10)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(36)34-37/h1-9,37H,(H,33,35)(H,34,36)
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n/an/an/a 3.80E+3n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361256
PNG
(CHEMBL1934898)
Show SMILES CCc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1
Show InChI InChI=1S/C16H12F12N2O3/c1-2-7-4-3-5-8(6-7)29-9(31)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(32)30-33/h3-6,33H,2H2,1H3,(H,29,31)(H,30,32)
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n/an/an/a 190n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361257
PNG
(CHEMBL1934899)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(cc1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H13F12N5O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(41)37-42)15(40)35-12-8-6-11(7-9-12)14-10-39(38-36-14)13-4-2-1-3-5-13/h1-10,42H,(H,35,40)(H,37,41)
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n/an/an/a 7.00E+3n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361258
PNG
(CHEMBL1934900)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1S/C24H12F12N2O3/c25-19(26,21(29,30)23(33,34)24(35,36)22(31,32)20(27,28)18(40)38-41)17(39)37-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,41H,(H,37,39)(H,38,40)
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n/an/an/a 600n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361259
PNG
(CHEMBL1934901)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H9F12N3O3S/c18-12(19,9(33)31-11-30-8(6-36-11)7-4-2-1-3-5-7)14(22,23)16(26,27)17(28,29)15(24,25)13(20,21)10(34)32-35/h1-6,35H,(H,32,34)(H,30,31,33)
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n/an/an/a 2.20E+3n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361260
PNG
(CHEMBL1934902)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(cc1)-c1cnnn1-c1ccccc1
Show InChI InChI=1S/C22H13F12N5O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(41)37-42)15(40)36-12-8-6-11(7-9-12)14-10-35-38-39(14)13-4-2-1-3-5-13/h1-10,42H,(H,36,40)(H,37,41)
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n/an/an/a 4.50E+3n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361261
PNG
(CHEMBL1934903)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C18H10F12N2O3/c19-13(20,11(33)31-10-7-3-5-8-4-1-2-6-9(8)10)15(23,24)17(27,28)18(29,30)16(25,26)14(21,22)12(34)32-35/h1-7,35H,(H,31,33)(H,32,34)
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n/an/an/a 370n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361262
PNG
(CHEMBL1934904)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H12F12N2O3/c21-15(22,13(35)33-12-8-4-7-11(9-12)10-5-2-1-3-6-10)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(36)34-37/h1-9,37H,(H,33,35)(H,34,36)
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n/an/an/a 450n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361263
PNG
(CHEMBL1934905)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C18H10F12N2O3/c19-13(20,11(33)31-10-6-5-8-3-1-2-4-9(8)7-10)15(23,24)17(27,28)18(29,30)16(25,26)14(21,22)12(34)32-35/h1-7,35H,(H,31,33)(H,32,34)
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n/an/an/a 160n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361264
PNG
(CHEMBL1934906)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C20H12F12N2O3/c21-15(22,13(35)33-12-9-5-4-8-11(12)10-6-2-1-3-7-10)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(36)34-37/h1-9,37H,(H,33,35)(H,34,36)
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n/an/an/a 860n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361265
PNG
(CHEMBL1934907)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2cc3ccccc3cc2c1
Show InChI InChI=1S/C22H12F12N2O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(38)36-39)15(37)35-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,39H,(H,35,37)(H,36,38)
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n/an/an/a 9.10E+3n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361266
PNG
(CHEMBL1934908)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C22H12F12N2O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(38)36-39)15(37)35-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,39H,(H,35,37)(H,36,38)
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n/an/an/a 290n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361267
PNG
(CHEMBL1934909)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cccc2cc3ccccc3cc12
Show InChI InChI=1S/C22H12F12N2O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(38)36-39)15(37)35-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9,39H,(H,35,37)(H,36,38)
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n/an/an/a 740n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361268
PNG
(CHEMBL1934910)
Show SMILES FC(F)(C(=O)Nc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H12F12N2O2/c21-15(22,13(35)33-11-7-3-1-4-8-11)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(36)34-12-9-5-2-6-10-12/h1-10H,(H,33,35)(H,34,36)
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n/an/an/a 2.70E+4n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/an/a 300n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361249
PNG
(CHEMBL1934891)
Show SMILES Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C15H10F12N2O3/c1-6-2-4-7(5-3-6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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n/an/an/a 270n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361248
PNG
(CHEMBL1934890)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H8F12N2O3/c15-9(16,7(29)27-6-4-2-1-3-5-6)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8(30)28-31/h1-5,31H,(H,27,29)(H,28,30)
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n/an/an/a 540n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361251
PNG
(CHEMBL1934893)
Show SMILES CC(=O)Nc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C16H11F12N3O4/c1-6(32)29-7-2-4-8(5-3-7)30-9(33)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(34)31-35/h2-5,35H,1H3,(H,29,32)(H,30,33)(H,31,34)
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n/an/an/a 1.30E+3n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361252
PNG
(CHEMBL1934894)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C15H7F12N3O3/c16-10(17,8(31)29-7-3-1-6(5-28)2-4-7)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(32)30-33/h1-4,33H,(H,29,31)(H,30,32)
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n/an/an/a 230n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)

More data for this
Ligand-Target Pair